3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine

C10H9N3O3 — CID 82079467

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine
SMILESNc1nc(-c2ccc3c(c2)OCCO3)no1
InChIInChI=1S/C10H9N3O3/c11-10-12-9(13-16-10)6-1-2-7-8(5-6)15-4-3-14-7/h1-2,5H,3-4H2,(H2,11,12,13)
InChIKeyXZYMPPKDCJTPER-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.09
Rot. Bonds1

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 82079467) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine
PubChem CID82079467
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine
SMILESNc1nc(-c2ccc3c(c2)OCCO3)no1
InChIInChI=1S/C10H9N3O3/c11-10-12-9(13-16-10)6-1-2-7-8(5-6)15-4-3-14-7/h1-2,5H,3-4H2,(H2,11,12,13)
InChIKeyXZYMPPKDCJTPER-UHFFFAOYSA-N
XLogP1.09
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine
CID 62203853
3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 28806185
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine
CID 82477974
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine
CID 43670972
4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine
CID 79557105
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193663
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine
CID 28808405
3-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazole
CID 112571996
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyrimidin-4-amine
CID 62202609
3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 28806099
4-bromo-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine
CID 82307863
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine (CID 82079467) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine is Nc1nc(-c2ccc3c(c2)OCCO3)no1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is XZYMPPKDCJTPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-10-12-9(13-16-10)6-1-2-7-8(5-6)15-4-3-14-7/h1-2,5H,3-4H2,(H2,11,12,13).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 219.20 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 82079467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).